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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Turbulent reacting flow computations including turbulence-chemistry interactions

A two-equation (k-epsilon) turbulence model has been extended to be applicable for compressible reacting flows. A compressibility correction model based on modeling the dilatational terms in the Reynolds stress equations has been used. A turbulence-chemistry interaction model is outlined. In this model, the effects of temperature and species mass concentrations fluctuations on the species mass production rates are decoupled. The effect of temperature fluctuations is modeled via a moment model, and the effect of concentration fluctuations is included using an assumed beta-pdf model. Preliminary results obtained using this model are presented. A two-dimensional reacting mixing layer has been used as a test case. Computations are carried out using the Navier-Stokes solver SPARK using a finite rate chemistry model for hydrogen-air combustion.

Narayan, J. R.↗
DOE OSTI2025

Hidden Features: How Subsurface and Landscape Heterogeneity Govern Hydrologic Connectivity and Stream Chemistry in a Montane Watershed

ABSTRACT Hydrologic connectivity is defined as the connection among stores of water within a watershed and controls the flux of water and solutes from the subsurface to the stream. Hydrologic connectivity is difficult to quantify because it is goverened by heterogeniety in subsurface storage and permeability and responds to seasonal changes in precipitation inputs and subsurface moisture conditions. How interannual climate variability impacts hydrologic connectivity, and thus stream flow generation and chemistry, remains unclear. Using a rare, four‐year synoptic stream chemistry dataset, we evaluated shifts in stream chemistry and stream flow source of Coal Creek, a montane, headwater tributary of the Upper Colorado River. We leveraged compositional principal component analysis and end‐member mixing to evaluate how seasonal and interannual variation in subsurface moisture conditions impacts stream chemistry. Overall, three main findings emerged from this work. First, three geochemically distinct end members were identified that constrained stream flow chemistry: reach inflows, and quick and slow flow groundwater contributions. Reach inflows were impacted by historic base and precious metal mine inputs. Bedrock fractures facilitated much of the transport of quick flow groundwater and higher‐storage subsurface features (e.g., alluvial fans) facilitated the transport of slow flow groundwater. Second, the contributions of different end members to the stream changed over the summer. In early summer, stream flow was composed of all three end members, while in late summer, it was composed predominantly of reach inflows and slow flow groundwater. Finally, we observed minimal differences in proportional composition in stream chemistry across all four years, indicating seasonal variability in subsurface moisture and spatial heterogeneity in landscape and geologic features had a greater influence than interannual climate fluctuation on hydrologic connectivity and stream water chemistry. These findings indicate that mechanisms controlling solute transport (e.g., hydrologic connectivity and flow path activation) may be resilient (i.e., able to rebound after perturbations) to predicted increases in climate variability. By establishing a framework for assessing compositional stream chemistry across variable hydrologic and subsurface moisture conditions, our study offers a method to evaluate watershed biogeochemical resilience to variations in hydrometeorological conditions.

Johnson, Keira [College of Earth, Ocean, and Atmos↗
DOE OSTI2024

Adoption Readiness Level Assessment of Redox Flow Batteries

Adoption readiness levels (ARLs) were developed by the Department of Energy’s Office of Technology Transitions (OTT) to holistically capture barriers to market adoption for a technology. The framework consists of 17 risk dimensions falling into 4 broad categories: Value Proposition, Market Acceptance, Resource Maturity, and License to Operate. OTT’s Commercial Adoption Readiness Assessment Tool (CARAT) can be used to evaluate a technology’s ARL. This work applies CARAT to redox flow batteries to evaluate the level of risk for this technology class across the 17 dimensions. Redox flow batteries were found to bear 1-2 high risk dimensions, 10-11 medium risk dimensions, 5 low risk dimensions, and scored an overall low readiness on the CARAT scoring scale (ranges reflect variation with flow battery chemistry). Herein, we describe the factors and evaluation across the dimensions leading to this score for redox flow batteries.

25 ENERGY STORAGE↗
NASA NTRS1989

A survey of upwind methods for flows with equilibrium and non-equilibrium chemistry and thermodynamics

Several versions of flux-vector split and flux-difference split algorithms were compared with regard to general applicability and complexity. Test computations were performed using curve-fit equilibrium air chemistry for an M = 5 high-temperature inviscid flow over a wedge, and an M = 24.5 inviscid flow over a blunt cylinder for test computations; for these cases, little difference in accuracy was found among the versions of the same flux-split algorithm. For flows with nonequilibrium chemistry, the effects of the thermodynamic model on the development of flux-vector split and flux-difference split algorithms were investigated using an equilibrium model, a general nonequilibrium model, and a simplified model based on vibrational relaxation. Several numerical examples are presented, including nonequilibrium air chemistry in a high-temperature shock tube and nonequilibrium hydrogen-air chemistry in a supersonic diffuser.

Grossman, B.↗
NASA NTRS2001

Aircraft Engine Systems

This report outlines the detailed simulation of Aircraft Turbofan Engine. The objectives were to develop a detailed flow model of a full turbofan engine that runs on parallel workstation clusters overnight and to develop an integrated system of codes for combustor design and analysis to enable significant reduction in design time and cost. The model will initially simulate the 3-D flow in the primary flow path including the flow and chemistry in the combustor, and ultimately result in a multidisciplinary model of the engine. The overnight 3-D simulation capability of the primary flow path in a complete engine will enable significant reduction in the design and development time of gas turbine engines. In addition, the NPSS (Numerical Propulsion System Simulation) multidisciplinary integration and analysis are discussed.

Veres, Joseph↗
NASA NTRS2024

A Summary of the 2023 Joint High-Speed Boundary Layer Transition Workshop

A joint workshop between the Air Force Office of Scientific Research, the Office of Naval Research, and the NASA Hypersonic Technology Project was held in June 2023 on the topic of high-speed boundary-layer transition. The purpose of this workshop was to gather subject matter experts in the areas of supersonic and hypersonic boundary-layer transition in the areas of geometries of interest, computational methods, facilities and diagnostics, flight experiments, flow control, and new approaches and to discuss the current state of the art in the field. As gaps and accomplishments were identified, roadmaps were also created to guide future investments in these areas. The top recommendations are (1) to define relevant common geometries of interest that can be worked by multiple research groups; (2) improve modeling of high-enthalpy flows involving chemistry and ablation, studies of receptivity of freestream disturbances and atmospheric particulates into the boundary layer, surface feature characterization and modeling of changes to geometry; (3) design and determine viable flow control methods; and (4) move towards incorporating boundary layer transition prediction into a standard practice for design of high-speed vehicles. To execute this last recommendation successfully, investments beyond fundamental (basic and early applied) research are needed.

boundary layer transition↗
NASA NTRS1983

Calculation of inviscid flow over shuttle-like vehicles at high angles of attack and comparisons with experimental data

A computer code HALIS, designed to compute the three dimensional flow about shuttle like configurations at angles of attack greater than 25 deg, is described. Results from HALIS are compared where possible with an existing flow field code; such comparisons show excellent agreement. Also, HALIS results are compared with experimental pressure distributions on shuttle models over a wide range of angle of attack. These comparisons are excellent. It is demonstrated that the HALIS code can incorporate equilibrium air chemistry in flow field computations.

Weilmuenster, K. J.↗
NASA NTRS2016

Uncertainty and Sensitivity Analysis of Afterbody Radiative Heating Predictions for Earth Entry

The objective of this work was to perform sensitivity analysis and uncertainty quantification for afterbody radiative heating predictions of Stardust capsule during Earth entry at peak afterbody radiation conditions. The radiation environment in the afterbody region poses significant challenges for accurate uncertainty quantification and sensitivity analysis due to the complexity of the flow physics, computational cost, and large number of un-certain variables. In this study, first a sparse collocation non-intrusive polynomial chaos approach along with global non-linear sensitivity analysis was used to identify the most significant uncertain variables and reduce the dimensions of the stochastic problem. Then, a total order stochastic expansion was constructed over only the important parameters for an efficient and accurate estimate of the uncertainty in radiation. Based on previous work, 388 uncertain parameters were considered in the radiation model, which came from the thermodynamics, flow field chemistry, and radiation modeling. The sensitivity analysis showed that only four of these variables contributed significantly to afterbody radiation uncertainty, accounting for almost 95% of the uncertainty. These included the electronic- impact excitation rate for N between level 2 and level 5 and rates of three chemical reactions in uencing N, N(+), O, and O(+) number densities in the flow field.

West, Thomas K., IV↗
DOE OSTI2024

3D printed optimized electrodes for electrochemical flow reactors

Recent advances in 3D printing have enabled the manufacture of porous electrodes which cannot be machined using traditional methods. With micron-scale precision, the pore structure of an electrode can now be designed for optimal energy efficiency, and a 3D printed electrode is not limited to a single uniform porosity. As these electrodes scale in size, however, the total number of possible pore designs can be intractable; choosing an appropriate pore distribution manually can be a complex task. To address this challenge, we adopt an inverse design approach. Using physics-based models, the electrode structure is optimized to minimize power losses in a flow reactor. The computer-generated structure is then printed and benchmarked against homogeneous porosity electrodes. We show how an optimized electrode decreases the power requirements by 16% compared to the best-case homogeneous porosity. Future work could apply this approach to flow batteries, electrolyzers, and fuel cells to accelerate their design and implementation.

25 ENERGY STORAGE↗
NASA NTRS1996

Droplet Deformation in an Extensional Flow: The Role of Surfactant Physical Chemistry

Surfactant-induced Marangoni effects strongly alter the stresses exerted along fluid particle interfaces. In low gravity processes, these stresses can dictate the system behavior. The dependence of Marangoni effects on surfactant physical chemistry is not understood, severely impacting our ability to predict and control fluid particle flows. A droplet in an extensional flow allows the controlled study of stretching and deforming interfaces. The deformations of the drop allow both Marangoni stresses, which resist tangential shear, and Marangoni elasticities, which resist surface dilatation, to develop. This flow presents an ideal model system for studying these effects. Prior surfactant-related work in this flow considered a linear dependence of the surface tension on the surface concentration, valid only at dilute surface concentrations, or a non-linear framework at concentrations sufficiently dilute that the linear approximation was valid. The linear framework becomes inadequate for several reasons. The finite dimensions of surfactant molecules must be taken into account with a model that includes surfaces saturation. Nonideal interactions between adsorbed surfactant molecules alter the partitioning of surfactant between the bulk and the interface, the dynamics of surfactant adsorptive/desorptive exchange, and the sensitivity of the surface tension to adsorbed surfactant. For example, cohesion between hydrocarbon chains favors strong adsorption. Cohesion also slows the rate of desorption from interfaces, and decreases the sensitivity of the surface tension to adsorbed surfactant. Strong cohesive interactions result in first order surface phase changes with a plateau in the surface tension vs surface concentration. Within this surface concentration range, the surface tension is decoupled from surface concentration gradients. We are engaged in the study of the role of surfactant physical chemistry in determining the Marangoni stresses on a drop in an extensional flow in a numerical and experimental program. Using surfactants whose dynamics and equilibrium behavior have been characterized in our laboratory, drop deformation will be studied in ground-based experiment. In an accompanying numerical study, predictive drop deformations will be determined based on the isotherm and equation of state determined in our laboratory. This work will improve our abilities to predict and control all fluid particle flows.

Stebe, Kathleen J.↗
NASA NTRS2011

Effects of Non-Equilibrium Chemistry and Darcy-Forchheimer Flow of Pyrolysis Gas for a Charring Ablator

The Fully Implicit Ablation and Thermal Response code, FIAT, simulates pyrolysis and ablation of thermal protection materials and systems. The governing equations, which include energy conservation, a three-component decomposition model, and a surface energy balance, are solved with a moving grid. This work describes new modeling capabilities that are added to a special version of FIAT. These capabilities include a time-dependent pyrolysis gas flow momentum equation with Darcy-Forchheimer terms and pyrolysis gas species conservation equations with finite-rate homogeneous chemical reactions. The total energy conservation equation is also enhanced for consistency with these new additions. Parametric studies are performed using this enhanced version of FIAT. Two groups of analyses of Phenolic Impregnated Carbon Ablator (PICA) are presented. In the first group, an Orion flight environment for a proposed Lunar-return trajectory is considered. In the second group, various test conditions for arcjet models are examined. The central focus of these parametric studies is to understand the effect of pyrolysis gas momentum transfer on PICA material in-depth thermal responses with finite-rate, equilibrium, or frozen homogeneous gas chemistry. Results are presented, discussed, and compared with those predicted by the baseline PICA/FIAT ablation and thermal response model developed by the Orion Thermal Protection System Advanced Development Project.

Ablation↗
NASA NTRS2009

Smoke Point in Co-flow Experiment

The Smoke Point In Co-flow Experiment (SPICE) determines the point at which gas-jet flames (similar to a butane-lighter flame) begin to emit soot (dark carbonaceous particulate formed inside the flame) in microgravity. Studying a soot emitting flame is important in understanding the ability of fires to spread and in control of soot in practical combustion systems space. Previous experiments show that soot dominates the heat emitted from flames in normal gravity and microgravity fires. Control of this heat emission is critical for prevention of the spread of fires on Earth and in space for the design of efficient combustion systems (jet engines and power generation boilers). The onset of soot emission from small gas jet flames (similar to a butane-lighter flame) will be studied to provide a database that can be used to assess the interaction between fuel chemistry and flow conditions on soot formation. These results will be used to support combustion theories and to assess fire behavior in microgravity. The Smoke Point In Co-flow Experiment (SPICE) will lead to a o improved design of practical combustors through improved control of soot formation; o improved understanding of and ability to predict heat release, soot production and emission in microgravity fires; o improved flammability criteria for selection of materials for use in the next generation of spacecraft. The Smoke Point In Co-flow Experiment (SPICE) will continue the study of fundamental phenomena related to understanding the mechanisms controlling the stability and extinction of jet diffusion flames begun with the Laminar Soot Processes (LSP) on STS-94. SPICE will stabilize an enclosed laminar flame in a co-flowing oxidizer, measure the overall flame shape to validate the theoretical and numerical predictions, measure the flame stabilization heights, and measure the temperature field to verify flame structure predictions. SPICE will determine the laminar smoke point properties of non-buoyant jet diffusion flames (i.e., the properties of the largest laminar jet diffusion flames that do not emit soot) for several fuels under different nozzle diameter/co-flow velocity configurations. Luminous flame shape measurements would also be made to verify models of the flame shapes under co-flow conditions. The smoke point is a simple measurement that has been found useful to study the influence of flow and fuel properties on the sooting propensity of flames. This information would help support current understanding of soot processes in laminar flames and by analogy in turbulent flames of practical interest.

Urban, David L.↗
DOE OSTI2024

An experimental, theoretical and kinetic modeling study of the N 2 O-H 2 system: Implications for N 2 O + H

The reaction of N 2 O with His the key step in consumption of nitrous oxide in thermal processes. The major product channel is N 2 + OH, while NH + NO constitute minor products. In addition, a pathway involving HNNO, initiated by N 2 O + H (+M)$\rightleftarrows$HNNO (+M) (R3, R4), has been inferred from experiment and theory by Burke and coworkers. At longer reaction times, the reaction may reach partial equilibration, and in addition to k 3 and k 4 the importance of this channel depends on the thermodynamic properties of HNNO and its consumption reactions, mainly HNNO + H. In the present work, we re-examined the thermochemistry of HNNO and calculated rate constants and branching fractions for the HNNO + H reaction. Experiments on the N 2 O-H 2 system were conducted in a high-pressure flow reactor at 100 atm as a function of temperature (600-925 K) and stoichiometry and explained in terms of an updated chemical kinetic model. The results support the importance of the HNNO pathway, which results in inhibition of N 2 O consumption and formation of NH 3 . In addition, selected literature results on the N 2 O-H 2 system are re-examined and the implications for the other product channels of N 2 O + H, in particular NH + NO, are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Recent Advances in the Use of Ionic Liquids and Deep Eutectic Solvents for Lignocellulosic Biorefineries and Biobased Chemical and Material Production

Biorefineries, which process biomass feedstocks into valuable (bio)products, aim to replace fossil fuel-based refineries to produce energy and chemicals, reducing environmental and health hazards, including climate change, and supporting a sustainable economy. In particular, lignocellulose-based biorefineries, utilizing the most abundant renewable feedstock on Earth, have significant potential to supply sustainable energy, chemicals and materials. Ionic liquids (ILs, organic salts with low melting temperatures) and deep eutectic solvents (DESs, mixtures with eutectic points lower than the ideal mixture) are capable of dissolving some of the key lignocellulose polymers, and even the whole biomass. Furthermore, they have intrinsic advantages over molecular solvents, including safer usage profiles and high tunability, which allow tailored physicochemical properties. Such properties provide unique opportunities for the development of new processes that could unlock the full potential of future biorefineries. Here, we review the current state of lignocellulosic biomass processing with ILs and DESs, with a specific focus on the pretreatment chemistry, process flow and products from each component; followed by discussions on sustainability assessments and technological challenges. We aim to inform the research community about the opportunities, challenges and perspectives in developing truly sustainable lignocellulose-based biorefineries.

09 BIOMASS FUELS↗
DOE OSTI2025

Fluid modeling of low-temperature plasmas

Fluid models are essential for understanding and predicting low-temperature plasma (LTP) behavior in various scientific and industrial settings. This paper provides an introductory tutorial on fluid modeling of LTPs, covering model formulation, implementation, and computational simulations. The tutorial focuses on five main components of the formulation of LTP fluid models: fluid flow, energy, chemistry, electromagnetism, and material properties, as well as in essential aspects of model implementations, including multiscale phenomena, multiphysics coupling, and numerical convergence. Designed for students and early-career researchers, this work offers a practical foundation for developing and using fluid models, from in-house computational codes to commercial software, bridging fundamental theory with real-world applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

2D photofragmentation LIF imaging of H 2 O 2 and HO 2 in the effluent of an atmospheric-pressure plasma jet: effects of solid and liquid interfaces

Two-dimensional (2D) absolute measurements of hydrogen peroxide (H 2 O 2 ) and approximations of the hydroperoxyl radical (HO 2 ) in the effluent of a COST Reference Microplasma Jet operated with a He/H 2 O feed gas are presented. Gas-phase densities are mapped using photofragmentation laser-induced fluorescence (PF-LIF) under three boundary conditions: open effluent, a solid target, and a liquid target. A novel method is presented for separating PF-LIF signals from H 2 O 2 and HO 2 using comparative measurements in oxygen-rich and oxygen-free environments to exploit the preferential formation of HO 2 in the presence of molecular oxygen. This separation strategy is supported by results from a plug-flow plasma chemistry model. Measured densities agree closely with model predictions in both magnitude and trend, while the 2D experimental distributions provide additional insight into the spatial dependencies of these species. In particular, the results show distinct differences in species transport depending on the target type: solid surfaces induce lateral deflection and reduced centerline densities, whereas liquid interfaces promote axial accumulation and higher near-axis concentrations.

atmospheric-pressure plasma jet (APPJ)↗
DOE OSTI2025

Geochemical and Hydromechanical Stimulation for Reaction Acceleration (GeoHydRA) of Serpentinization for In Situ Hydrogen Production

The project team aims to develop an innovative approach to stimulate geological hydrogen generation by enhancing in-situ serpentinization of ultramafic rocks. This method can maximize hydrogen production by promoting reactive surface areas through controlled fracturing and optimizing fluid chemistry and flow rates. Key objectives include establishing optimal conditions for hydrogen generation, investigating subsurface limitations, and sustaining production via hierarchical crack systems.

08 HYDROGEN↗
DOE OSTI2025

Reviews and syntheses: Variable inundation across Earth's terrestrial ecosystems

Abstract. The structure, function, and dynamics of Earth's terrestrial ecosystems are profoundly influenced by how often (frequency) and how long (duration) they are inundated with water. A diverse array of natural and human-engineered systems experience temporally variable inundation whereby they fluctuate between inundated and non-inundated states. Variable inundation spans extreme events to predictable sub-daily cycles. Variably inundated ecosystems (VIEs) include hillslopes, non-perennial streams, wetlands, floodplains, temporary ponds, tidal systems, storm-impacted coastal zones, and human-engineered systems. VIEs are diverse in terms of inundation regimes, water chemistry and flow velocity, soil and sediment properties, vegetation, and many other properties. The spatial and temporal scales of variable inundation are vast, ranging from sub-meter to whole landscapes and from sub-hourly to multi-decadal. The broad range of system types and scales makes it challenging to predict the hydrology, biogeochemistry, ecology, and physical evolution of VIEs. Despite all experiencing the loss and gain of an overlying water column, VIEs are rarely considered together in conceptual, theoretical, modeling, or measurement frameworks and approaches. Studying VIEs together has the potential to generate mechanistic understanding that is transferable across a much broader range of environmental conditions, relative to knowledge generated by studying any one VIE type. We postulate that enhanced transferability will be important for predicting changes in VIE function in response to global change. Here we aim to catalyze cross-VIE science that studies drivers and impacts of variable inundation across Earth's VIEs. To this end, we complement expert mini-reviews of eight major VIE systems with overviews of VIE-relevant methods and challenges associated with scale. We conclude with perspectives on how cross-VIE science can derive transferable understanding via unifying conceptual models in which the impacts of variable inundation are studied across multi-dimensional environmental space.

54 ENVIRONMENTAL SCIENCES↗